4-amino-2-piperidin-1-yl-1,3-diazaspiro[5.5]undeca-1,4-diene-5-carbonitrile

C15H23N5 — CID 56922855

IUPAC4-amino-2-piperidin-1-yl-1,3-diazaspiro[5.5]undeca-1,4-diene-5-carbonitrile
SMILESN#CC1=C(N)NC(N2CCCCC2)=NC12CCCCC2
InChIInChI=1S/C15H23N5/c16-11-12-13(17)18-14(20-9-5-2-6-10-20)19-15(12)7-3-1-4-8-15/h1-10,17H2,(H,18,19)
InChIKeyNTCVTIYEBTUQCR-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.83
Rot. Bonds

About 4-amino-2-piperidin-1-yl-1,3-diazaspiro[5.5]undeca-1,4-diene-5-carbonitrile

4-amino-2-piperidin-1-yl-1,3-diazaspiro[5.5]undeca-1,4-diene-5-carbonitrile (PubChem CID 56922855) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-amino-2-piperidin-1-yl-1,3-diazaspiro[5.5]undeca-1,4-diene-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-piperidin-1-yl-1,3-diazaspiro[5.5]undeca-1,4-diene-5-carbonitrile
PubChem CID56922855
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name4-amino-2-piperidin-1-yl-1,3-diazaspiro[5.5]undeca-1,4-diene-5-carbonitrile
SMILESN#CC1=C(N)NC(N2CCCCC2)=NC12CCCCC2
InChIInChI=1S/C15H23N5/c16-11-12-13(17)18-14(20-9-5-2-6-10-20)19-15(12)7-3-1-4-8-15/h1-10,17H2,(H,18,19)
InChIKeyNTCVTIYEBTUQCR-UHFFFAOYSA-N
XLogP1.83
TPSA77.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-piperidin-1-yl-1,3-diazaspiro[5.5]undeca-1,4-diene-5-carbonitrile?
The IUPAC name of 4-amino-2-piperidin-1-yl-1,3-diazaspiro[5.5]undeca-1,4-diene-5-carbonitrile (CID 56922855) is 4-amino-2-piperidin-1-yl-1,3-diazaspiro[5.5]undeca-1,4-diene-5-carbonitrile.
What is the SMILES notation for 4-amino-2-piperidin-1-yl-1,3-diazaspiro[5.5]undeca-1,4-diene-5-carbonitrile?
The canonical SMILES for 4-amino-2-piperidin-1-yl-1,3-diazaspiro[5.5]undeca-1,4-diene-5-carbonitrile is N#CC1=C(N)NC(N2CCCCC2)=NC12CCCCC2.
What is the InChIKey of 4-amino-2-piperidin-1-yl-1,3-diazaspiro[5.5]undeca-1,4-diene-5-carbonitrile?
The InChIKey is NTCVTIYEBTUQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c16-11-12-13(17)18-14(20-9-5-2-6-10-20)19-15(12)7-3-1-4-8-15/h1-10,17H2,(H,18,19).
What are the key properties of 4-amino-2-piperidin-1-yl-1,3-diazaspiro[5.5]undeca-1,4-diene-5-carbonitrile?
4-amino-2-piperidin-1-yl-1,3-diazaspiro[5.5]undeca-1,4-diene-5-carbonitrile has a molecular weight of 273.38 g/mol, XLogP of 1.83, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-piperidin-1-yl-1,3-diazaspiro[5.5]undeca-1,4-diene-5-carbonitrile is sourced from PubChem (CID 56922855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).